Chem
J-GLOBAL ID:200907016839265542   Nikkaji number:J2.057.072E

(3aS,4S,6aR)-N-[6-Oxo-6-[(4-pyridylmethyl)amino]hexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

(3aS,4S,6aR)-N-[6-オキソ-6-[(4-ピリジルメチル)アミノ]ヘキシル]ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4-ペンタンアミド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C22H33N5O3S
Molecular formula furigana: C22-H33-N5-O3-S
Molecular weight: 447.600
InChI: InChI=1S/C22H33N5O3S/c28-19(8-4-3-6-18-21-17(15-31-18)26-22(30)27-21)24-11-5-1-2-7-20(29)25-14-16-9-12-23-13-10-16/h9-10,12-13,17-18,21H,1-8,11,14-15H2,(H,24,28)(H,25,29)(H2,26,27,30)/t17-,18-,21-/m0/s1
InChI key: JIFBMIQNUKIRMF-WFXMLNOXSA-N
SMILES: O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)NCc1ccncc1
Systematic name  (4):
  • N-[6-オキソ-6-(4-ピリジニルメチルアミノ)ヘキシル]-5-[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-イル]ペンタンアミド
  • (3aS,4S,6aR)-N-[6-オキソ-6-[(4-ピリジルメチル)アミノ]ヘキシル]ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4-ペンタンアミド
  • 6-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}-N-[(ピリジン-4-イル)メチル]ヘキサンアミド
  • 6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-N-[(pyridin-4-yl)methyl]hexanamide
Other name (2):
  • N-[6-Oxo-6-(4-pyridinylmethylamino)hexyl]-5-[(3aβ,6aβ)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanamide
  • (3aS,4S,6aR)-N-[6-Oxo-6-[(4-pyridylmethyl)amino]hexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide
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